![2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline structure](/static/products/114/114461-58-4.webp)
2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline
TL;DR: 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline (CAS 114461-58-4) is a chemical compound with molecular formula C11H11NS2 and molecular weight 221.0333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(thiophen-3-ylmethylsulfanyl)aniline
Also Known As: 2-[(thien-3-ylmethyl)thio]aniline, 2-(thiophen-3-ylmethylsulfanyl)aniline, 2-{[(thiophen-3-yl)methyl]sulfanyl}aniline, 2-[(thiophen-3-ylmethyl)sulfanyl]aniline, 2-((Thiophen-3-ylmethyl)thio)aniline
Technical Specifications
| Molecular Formula | C11H11NS2 |
| Molecular Weight | 221.0333 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 79.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.0333 Da |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
| SMILES | C1=CC=C(C(=C1)N)SCC2=CSC=C2 |
| InChIKey | QUGTZMZGSFXNQM-UHFFFAOYSA-N |
Chemical Property Profile of 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline
Property Insights of 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline. Following Lipinski's Rule of Five, 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline?
The CAS number of 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline is 114461-58-4.
What is the molecular formula of 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline?
The molecular formula of 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline is C11H11NS2.
What is the molecular weight of 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline?
The molecular weight of 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline is 221.0333 g/mol.
Where can I buy 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline?
You can request a quote for 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline?
Yes, CoreyChem provides custom synthesis services for 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.